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root/group/trunk/OOPSE/libmdtools/SimInfo.hpp
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Comparing trunk/OOPSE/libmdtools/SimInfo.hpp (file contents):
Revision 588 by gezelter, Thu Jul 10 17:10:56 2003 UTC vs.
Revision 621 by gezelter, Wed Jul 16 02:11:02 2003 UTC

# Line 65 | Line 65 | class SimInfo{ (public)
65                        //  
66    double HmatInv[3][3];
67  
68 <  double boxLx, boxLy, boxLz; // the box Lengths
68 >  double boxL[3]; // The Lengths of the 3 column vectors of Hmat
69    double boxVol;
70    int orthoRhombic;
71    
# Line 132 | Line 132 | class SimInfo{ (public)
132    void matMul3(double a[3][3], double b[3][3], double out[3][3]);
133    void matVecMul3(double m[3][3], double inVec[3], double outVec[3]);
134    void invertMat3(double in[3][3], double out[3][3]);
135 +  void transposeMat3(double in[3][3], double out[3][3]);
136 +  void printMat3(double A[3][3]);
137 +  void printMat9(double A[9]);
138    double matDet3(double m[3][3]);
139    
140   private:

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